SCHEMBL10085459

SCHEMBL10085459

COc1ccc(-c2cccc3c2C(=O)N(c2ccc(C(C)C(=O)OC(C)(C)C)cc2)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 12/20 0.53
TDP1 Q9NUW8 7/20 0.53
RECQL P46063 4/20 0.53
BLM P54132 4/20 0.53
HSD17B10 Q99714 4/20 0.53
APEX1 P27695 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ESR1 P03372 2/20 0.53
MCL1 Q07820 2/20 0.53
ESR2 Q92731 2/20 0.53
NR4A1 P22736 1/20 0.53
PTPN7 P35236 1/20 0.53
TP53 P04637 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10086374 0.90 NPC1 (0.49) POLBTDP1RECQLBLMHSD17B10
SCHEMBL10113248 0.90 TP53 (0.56) POLBTDP1RECQLBLMHSD17B10
SCHEMBL10085461 0.90 TP53 (0.48) POLBTDP1RECQLBLMHSD17B10
SCHEMBL10086375 0.88 NPC1 (0.45) POLBTDP1RECQLBLMHSD17B10
SCHEMBL10085768 0.87 TP53 (0.64) POLBTDP1RECQLBLMHSD17B10
SCHEMBL10086427 0.86 TP53 (0.47) POLBTDP1RECQLBLMHSD17B10
SCHEMBL10086524 0.85 POLB (0.48) POLBTDP1RECQLBLMHSD17B10
SCHEMBL10085477 0.84 NPC1 (0.47) POLBTDP1RECQLBLMHSD17B10
SCHEMBL10086516 0.83 TP53 (0.48) POLBTDP1RECQLBLMHSD17B10
SCHEMBL10086520 0.82 TP53 (0.47) POLBTDP1RECQLBLMHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, 2012-04-05 US disclosed
US-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 US disclosed
US-8110681-B2 Compounds for the treatment of spinal muscular atrophy and other uses THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-02-07 US disclosed
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HHS (US) 2009-12-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120083495-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B POLB 251/4885TDP1 601/4885RECQL 2062/4885
US-20090312323-A1 COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, RNMT, CPT1B POLB 176/4885TDP1 716/4885RECQL 1678/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.